Geometry & MOs

Info

ID:	224555
PubChem CID:	85344730
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	6.33
Dipole, Da:	4.32
IP(EA), eV:	-9.06(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2,4b,5,8,8a,9,10,10a-octahydro-1H-phenanthren-3-one

Drug info:

PubChemData

Smile

C1CC=CC2C(C1)C3C=CC2C(=O)C34CO4

DOS

IR

Vibrations